CID 57421189

Sodium cyclobutanesulfinate

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1CC(C1)S(=O)O
InChI
InChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)
InChIKey
WINLKCZFDQUZHI-UHFFFAOYSA-N
Compound name
cyclobutanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

120.0245 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.03178 116.8
[M+Na]+ 143.01372 121.8
[M-H]- 119.01722 118.9
[M+NH4]+ 138.05832 132.0
[M+K]+ 158.98766 124.1
[M+H-H2O]+ 103.02176 106.5
[M+HCOO]- 165.02270 132.1
[M+CH3COO]- 179.03835 168.2
[M+Na-2H]- 140.99917 119.4
[M]+ 120.02395 124.6
[M]- 120.02505 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe